nips nips2002 nips2002-6 knowledge-graph by maker-knowledge-mining

6 nips-2002-A Formulation for Minimax Probability Machine Regression


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Author: Thomas Strohmann, Gregory Z. Grudic

Abstract: We formulate the regression problem as one of maximizing the minimum probability, symbolized by Ω, that future predicted outputs of the regression model will be within some ±ε bound of the true regression function. Our formulation is unique in that we obtain a direct estimate of this lower probability bound Ω. The proposed framework, minimax probability machine regression (MPMR), is based on the recently described minimax probability machine classification algorithm [Lanckriet et al.] and uses Mercer Kernels to obtain nonlinear regression models. MPMR is tested on both toy and real world data, verifying the accuracy of the Ω bound, and the efficacy of the regression models. 1

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Summary: the most important sentenses genereted by tfidf model

sentIndex sentText sentNum sentScore

1 edu Abstract We formulate the regression problem as one of maximizing the minimum probability, symbolized by Ω, that future predicted outputs of the regression model will be within some ±ε bound of the true regression function. [sent-6, score-1.211]

2 Our formulation is unique in that we obtain a direct estimate of this lower probability bound Ω. [sent-7, score-0.228]

3 The proposed framework, minimax probability machine regression (MPMR), is based on the recently described minimax probability machine classification algorithm [Lanckriet et al. [sent-8, score-0.55]

4 ] and uses Mercer Kernels to obtain nonlinear regression models. [sent-9, score-0.332]

5 MPMR is tested on both toy and real world data, verifying the accuracy of the Ω bound, and the efficacy of the regression models. [sent-10, score-0.36]

6 1 Introduction The problem of constructing a regression model can be posed as maximizing the minimum probability of future predictions being within some bound of the true regression function. [sent-11, score-0.87]

7 We refer to this regression framework as minimax probability machine regression (MPMR). [sent-12, score-0.703]

8 For MPMR to be useful in practice, it must make minimal assumptions about the distributions underlying the true regression function, since accurate estimation of these distribution is prohibitive on anything but the most trivial regression problems. [sent-13, score-0.634]

9 As with the minimax probability machine classification (MPMC) framework proposed in [1], we avoid the use of detailed distribution knowledge by obtaining a worst case bound on the probability that the regression model is within some ε > 0 of the true regression function. [sent-14, score-0.911]

10 In [1], this formulation is used to construct nonlinear classifiers (MPMC) that maximize the minimum probability of correct classification on future data. [sent-17, score-0.22]

11 ) for building nonlinear regression functions which maximize the minimum probability that the future predictions will be within an ε to the true regression function. [sent-20, score-0.812]

12 classification boundary) between these two classes corresponds to a regression surface, which we term the minimix probability machine regression model. [sent-24, score-0.625]

13 The proposed MPMR formulation is unique because it directly computes a bound on the probability that the regression model is within ±ε of the true regression function (see Theorem 1 below). [sent-25, score-0.912]

14 The theoretical foundations of MPMR are formalized in Section 2. [sent-26, score-0.02]

15 Experimental results on synthetic and real data are given in Section 3, verifying the accuracy of the minimax probability regression bound and the efficacy of the regression models. [sent-27, score-0.789]

16 Proofs of the two theorems presented in this paper are given in the appendix. [sent-28, score-0.026]

17 2 Regression Model We assume that learning data is generated from some unknown regression function f : d → that has the form: y = f (x) + ρ (2) where x ∈ d are generated according to some bounded distribution Λ, y ∈ , E[ρ] = 0, V ar[ρ] = σ 2 , and σ ∈ is finite. [sent-33, score-0.336]

18 , xid ) ∈ d is generated from the distribution Λ, and yi ∈ . [sent-43, score-0.177]

19 Therefore we can estimate the predictive power of a regression function by a bound on the minimum probability that we are within ε of the true regression function. [sent-45, score-0.81]

20 We refer to a regression function that directly estimates (4) as a mimimax probability machine regression (MPMR) model. [sent-46, score-0.658]

21 The proposed MPMR formulation is based on the kernel formulation for mimimax probability machine classification (MPMC) presented in [1]. [sent-47, score-0.292]

22 Therefore, the MPMR model has the form: N ˆ y = f (x) = ˆ βi K (xi , x) + b (5) i=1 where, K (xi , x) = ϕ(xi )ϕ(x) is a kernel satisfying Mercer’s Conditions, xi , ∀i ∈ {1, . [sent-48, score-0.093]

23 1 Kernel Based MPM Classification Before formalizing the MPMR algorithm for calculating βi and b from the training data Γ, we first describe the MPMC formulation upon which it is based. [sent-53, score-0.082]

24 In [1], the binary classification problem is posed as one of maximizing the probability of correctly classifying future data. [sent-54, score-0.118]

25 Specifically, two sets of points are considered, here symbolized by {u 1 , . [sent-55, score-0.087]

26 , Nu }, ui ∈ m , belonging to the first class, and {v1 , . [sent-61, score-0.098]

27 The points ui are assumed to be generated from a distribution that has mean u and a covariance matrix Σ u , and correspondingly, the points vi are assumed to be generated from a distribution that has mean v and a covariance matrix Σv . [sent-68, score-0.478]

28 For the nonlinear kernel formulation, these points are mapped into a higher dimensional space ϕ : m → h as follows: u → ϕ(u) with corresponding mean and covariance matrix (ϕ(u), Σϕ(u) ), and v → ϕ(v) with corresponding mean and covariance matrix (ϕ(v), Σϕ(v) ). [sent-69, score-0.313]

29 The binary classifier derived in [1] has the form (c = −1 for the first class and c = +1 for the second): Nu +Nv γi K c (zi , z) + bc c = sign (6) i=1 where K c (zi , z) = ϕ(zi )ϕ(z), zi = ui for i = 1, . [sent-70, score-0.373]

30 , γNu +Nv ), bc obtained by solving the following optimization problem: ˜ ˜ K K ˜ ˜ √ u γ + √ v γ min s. [sent-79, score-0.095]

31 a square matrix consisting of the elements Kij = K c (zi , zj )); and finally Kv contains the last Nv rows of the Gram matrix K. [sent-83, score-0.304]

32 2 Kernel Based MPM Regression In order to use the above MPMC formulation for our proposed MPMR framework, we first take the original learning data Γ and create two classes of points ui ∈ d+1 and vi ∈ d+1 , for i = 1, . [sent-86, score-0.297]

33 , xid ) Given these two sets of points, we obtain γ by minimizing equation (7). [sent-95, score-0.05]

34 , xd ) generated from the distribution Λ, calculating y the regression model output (5), involves finding a y that solves equation (12), ˆ ˆ where z = (ˆ, x1 , . [sent-100, score-0.463]

35 , xd ), and, recalling from above, zi = ui for i = 1, . [sent-103, score-0.413]

36 If K c (zi , z) is nonlinear, solving (12) for y is in general a nonlinear single variable optimization problem, which can be solved ˆ using a root finding algorithm (for example the Newton-Raphson Method outlined in [4]). [sent-110, score-0.04]

37 However, below we present a specific form of nonlinear K c (zi , z) that allows (12) to be solved analytically. [sent-111, score-0.04]

38 It is interesting to note that the above formulation of a regression model can be derived using any binary classification algorithm, and is not limited to the MPMC algorithm. [sent-112, score-0.391]

39 Specifically, if a binary classifier is built to separate any two sets of points (11), then finding a crossing point y at where the classifier separates these classes for some input ˆ x = (x1 , . [sent-113, score-0.07]

40 , xd ), is equivalent to finding the output of the regression model for input x = (x1 , . [sent-116, score-0.42]

41 It would be interesting to explore the efficacy of various classification algorithms for this type of regression model formulation. [sent-120, score-0.292]

42 , xd ) generated according to the distribution Λ, assume that there exists only one y that solves equation (12). [sent-125, score-0.171]

43 Assume also perfect knowledge of the ˆ statistics u, Σu , v, Σv . [sent-126, score-0.047]

44 Then, the minimum probability that y is within ε of y (as defined in ˆ (2)) is given by: κ2 Ω = inf Pr {|ˆ − y| ≤ ε} = y (13) 1 + κ2 where κ is defined in (9). [sent-127, score-0.159]

45 Therefore, from the above theorem, the MPMC framework directly computes the lower bound on the probability that the regression model is within ε of the function that generated the learning data Γ (i. [sent-129, score-0.498]

46 However, one key requirement of the theorem is perfect knowledge of the statistics u, Σu , v, Σv . [sent-132, score-0.11]

47 In the actual implementation of MPMR, these statistics are estimated from Γ, and it is an open question (which we address in Section 3) as to how accurately Ω can be estimated from real data. [sent-133, score-0.023]

48 In order to avoid the use of nonlinear optimizations techniques to solve (12) for y , we ˆ restrict the form of the kernel K c (zi , z) to the following: K c (zi , z) = yi y + K (xi , x) ˆ (14) where K (xi , x) = ϕ(xi )ϕ(x) is a kernel satisfying Mercer’s Conditions; where z = (ˆ, x1 , . [sent-134, score-0.213]

49 , N ; and where zi = vi−N , yi−N = y yi − for i = N + 1, . [sent-140, score-0.318]

50 Given this restriction on K c (zi , z), we now state our final theorem which uses the following lemma: Lemma 1: Proof: See Appendix. [sent-144, score-0.063]

51 ˜ ˜ ku − kv = 2 y Theorem 2: Assume that (14) is true. [sent-145, score-0.68]

52 2 of y; predicted Ω: predicted probability that the model is within ε = 0. [sent-147, score-0.205]

53 0 mean (std) mean (std) mean (std) mean squared error 0. [sent-151, score-0.2]

54 Therefore, Theorem 2 establishes that the MPMR formulation proposed in this paper has a closed form analytical solution, and its computational complexity is equivalent to solving a linear system of 2N − 1 equations in 2N − 1 unknowns. [sent-171, score-0.102]

55 Toy Sinc Data: Our toy example uses the noisy sinc function yi = sin(πxi )/(πxi ) + νi i = 1, . [sent-176, score-0.211]

56 , N , where νi is drawn from a Gaussian distribution with mean 0 and variance σ 2 [5]. [sent-179, score-0.04]

57 We use a RBF kernel K(a, b) = exp(−|a − b|2 ) and N = 100 training examples. [sent-180, score-0.034]

58 Figure 1 (d) and (e) illustrate how different tube sizes 0. [sent-183, score-0.026]

59 05 ≤ ε ≤ 2 affect the mean squared error (on 100 random test points), the predicted Ω and measured percentage of test data within ε (here called MPTDε) of the regression model. [sent-184, score-0.531]

60 The average mean squared error in (e) has a small deviation (0. [sent-186, score-0.112]

61 0453) over all tested ε and always was within the range 0. [sent-187, score-0.04]

62 This indicates that the accuracy of the regression model is essentially independent from the choice of ε. [sent-190, score-0.292]

63 Also note that the mean predicted Ω is a lower bound on the mean MPTDε. [sent-191, score-0.227]

64 The tightness of this lower bound varies for different amounts of noise (Table 1) and different choices of ε (Figure 1 d). [sent-192, score-0.085]

65 Boston Housing Data: We test MPMR on the widely used Boston housing regression data available from the UCI repository. [sent-193, score-0.37]

66 Following the experiments done in [5], we use the RBF kernel K(a, b) = exp(− a − b /(2σ 2 )), where (2σ 2 )) = 0. [sent-194, score-0.034]

67 The Boston housing data contains 506 training examples, which we randomly divided into N = 481 training examples and 25 testing examples for each test run. [sent-197, score-0.114]

68 Results are reported in Table 2 for 1) average mean squared errors and the standard deviation; 2) MPTDε: fraction of test points that are within of y and the standard deviation; 3) predicted Ω: predicted probability that the model is within ε of y and standard deviation. [sent-206, score-0.399]

69 We first note that the results compare favorably to those reported for other state of the art regression algorithms [5], even though 2 1. [sent-207, score-0.313]

70 5 4 3 learning examples true regression function MPMR function MPMR function + ε MPMR function − ε learning examples true regression function MPMR function MPMR function + ε MPMR function − ε 2. [sent-208, score-0.72]

71 5 2 learning examples true regression function MPMR function MPMR function + ε MPMR function − ε 3 2 1. [sent-209, score-0.36]

72 5 −3 −2 Percentage of Test Data within ± ε −1 0 1 2 −3 −3 3 −1 0 1 2 3 x 2 a) ε = 0. [sent-214, score-0.04]

73 6 d) MPTDε and predicted Ω e) mean squared error on test data w. [sent-246, score-0.162]

74 0: mean squared errors and the standard deviation; MPDTε: fraction of test points that are within of y and the standard deviation; predicted Ω: predicted probability that the model is within ε of y and standard deviation. [sent-262, score-0.399]

75 Second, as with the toy data, the errors are relatively independent of ε. [sent-341, score-0.039]

76 Finally, we note that the mean predicted Ω is lower than the measured average MPTDε, thus validating the the MPMR algorithm does indeed predict an effective lower bound on the probability that the regression model is within ε of the true regression function. [sent-342, score-0.93]

77 4 Discussion and Conclusion We formalize the regression problem as one of maximizing the minimum probability, Ω, that the regression model is within ±ε of the true regression function. [sent-343, score-1.023]

78 By estimating mean and covariance matrix statistics of the regression data (and making no other assumptions on the underlying true regression function distributions), the proposed minimax probability machine regression (MPMR) algorithm obtains a direct estimate of Ω. [sent-344, score-1.189]

79 Two theorems are presented proving that, given perfect knowledge of the mean and covariance statistics of the true regression function, the proposed MPMR algorithm directly computes the exact lower probability bound Ω. [sent-345, score-0.657]

80 We are unaware of any other nonlinear regression model formulation that has this property. [sent-346, score-0.414]

81 Future research will focus on a theoretical analysis of the conditions under which the accuracy of the regression model is independent of ε. [sent-348, score-0.292]

82 Also, we are analyzing the rate, as a function of sample size, at which estimates of the lower probability bound Ω converge to the true value. [sent-349, score-0.176]

83 Finally, the proposed minimax probability machine regression framework is a new formulation of the regression problem, and therefore its properties can only be fully understood through extensive experimentation. [sent-350, score-0.805]

84 We are currently applying MPMR to a wide variety of regression problems and have made Matlab / C source code available (http://www. [sent-351, score-0.292]

85 Optimal inequalities in probability theory: A convex optimization approach. [sent-380, score-0.041]

86 Shrinko ing the tube: A new support vector regression algorithm. [sent-400, score-0.292]

87 This point will have a corresponding y (defined in (2)), and from (10), the probability that z +ε = (y + ε, x1 , . [sent-413, score-0.041]

88 , xd ) will be classified correctly (as belonging to class u) by (6) is α. [sent-416, score-0.154]

89 Furthermore, the classification boundary occurs uniquely at the point where z = (ˆ, x1 , . [sent-417, score-0.048]

90 , xd ), where, y from the assumptions, y is the unique solution to (12). [sent-420, score-0.148]

91 Similarly, for the same point y, ˆ the probability that z−ε = (y − ε, x1 , . [sent-421, score-0.041]

92 , xd ) will be classified correctly (as belonging to class v) by (6) is also α, and the classifications boundary occurs uniquely at the point where z = (ˆ, x1 , . [sent-424, score-0.202]

93 , xd ) are, with probability α, on the correct side of the regression surface, defined by z = (ˆ, x1 , . [sent-434, score-0.461]

94 Therefore, z+ε differs from z by at most +ε in the first dimension, y and z−ε differs from z by at most −ε in the first dimension. [sent-438, score-0.034]

95 Thus, the minimum bound on the probability that |y − y | ≤ ε is α (defined in (10)), which has the same form as Ω. [sent-439, score-0.136]

96 Part 2: The values zi are defined as: z1 = u1 , . [sent-442, score-0.213]

97 Since Ku = Ku − 1N ku we have the following term for a single matrix entry: ˜ [Ku ]i,j = K c (ui , zj ) − 1 N N l=1 K c (ul , zj ) i = 1, . [sent-449, score-0.886]

98 , 2N ˜ Similarly the matrix entries for Kv look like: N 1 c ˜ [Kv ]i,j = K (vi , zj ) − N l=1 K c (vl , zj ) i = 1, . [sent-454, score-0.539]

99 (7) collapses to min K 2 Formulating this minimization with the use of the orthogonal matrix F and an initial vector ˜ γo this becomes (see [1]): min Ku (γo + Ft) 2 with respect to t ∈ 2N −1 . [sent-462, score-0.09]

100 Therefore in order to find the minimum we must solve 2N − 1 h(t) = K 2 d linear equations: 0 = dti h(t) i = 1, . [sent-464, score-0.038]


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This approach, known as transductive learning, was suggested in [5, 6] for kernel alignment tasks when the distribution of the instances in the test data is different from that of the training data. This setting becomes in particular handy in datasets where the test data was collected in a different scheme than the training data. We next discuss the notion of kernel goodness employed in this paper. This notion builds on the objective function that several variants of boosting algorithms maintain [7, 8]. We therefore first discuss in brief the form of boosting algorithms for kernels. 2 Using Boosting to Combine Kernels Numerous interpretations of AdaBoost and its variants cast the boosting process as a procedure that attempts to minimize, or make small, a continuous bound on the classification error (see for instance [9, 7] and the references therein). A recent work by Collins et al. [8] unifies the boosting process for two popular loss functions, the exponential-loss (denoted henceforth as ExpLoss) and logarithmic-loss (denoted as LogLoss) that bound the empir- ˜ ˜ Input: Labelled and unlabelled sets of examples: S = {(xi , yi )}m ; S = {˜i }m x i=1 i=1 Initialize: K ← 0 (all zeros matrix) For t = 1, 2, . . . , T : • Calculate distribution over pairs 1 ≤ i, j ≤ m: Dt (i, j) = exp(−yi yj K(xi , xj )) 1/(1 + exp(−yi yj K(xi , xj ))) ExpLoss LogLoss ˜ • Call base-kernel-learner with (Dt , S, S) and receive Kt • Calculate: + − St = {(i, j) | yi yj Kt (xi , xj ) > 0} ; St = {(i, j) | yi yj Kt (xi , xj ) < 0} + Wt = (i,j)∈S + Dt (i, j)|Kt (xi , xj )| ; Wt− = (i,j)∈S − Dt (i, j)|Kt (xi , xj )| t t 1 2 + Wt − Wt • Set: αt = ln ; K ← K + α t Kt . Return: kernel operator K : X × X →   Figure 1: The skeleton of the boosting algorithm for kernels. ical classification error. Given the prediction of a classifier f on an instance x and a label y ∈ {−1, +1} the ExpLoss and the LogLoss are defined as, ExpLoss(f (x), y) = exp(−yf (x)) LogLoss(f (x), y) = log(1 + exp(−yf (x))) . Collins et al. described a single algorithm for the two losses above that can be used within the boosting framework to construct a strong-hypothesis which is a classifier f (x). This classifier is a weighted combination of (possibly very simple) base classifiers. (In the boosting framework, the base classifiers are referred to as weak-hypotheses.) The strongT hypothesis is of the form f (x) = t=1 αt ht (x). Collins et al. discussed a few ways to select the weak-hypotheses ht and to find a good of weights αt . Our starting point in this paper is the first sequential algorithm from [8] that enables the construction or creation of weak-hypotheses on-the-fly. We would like to note however that it is possible to use other variants of boosting to design kernels. In order to use boosting to design kernels we extend the algorithm to operate over pairs of instances. Building on the notion of alignment from [5, 6], we say that the inner-product of x1 and x2 is aligned with the labels y1 and y2 if sign(K(x1 , x2 )) = y1 y2 . Furthermore, we would like to make the magnitude of K(x, x ) to be as large as possible. We therefore use one of the following two alignment losses for a pair of examples (x 1 , y1 ) and (x2 , y2 ), ExpLoss(K(x1 , x2 ), y1 y2 ) = exp(−y1 y2 K(x1 , x2 )) LogLoss(K(x1 , x2 ), y1 y2 ) = log(1 + exp(−y1 y2 K(x1 , x2 ))) . Put another way, we view a pair of instances as a single example and cast the pairs of instances that attain the same label as positively labelled examples while pairs of opposite labels are cast as negatively labelled examples. Clearly, this approach can be applied to both losses. In the boosting process we therefore maintain a distribution over pairs of instances. The weight of each pair reflects how difficult it is to predict whether the labels of the two instances are the same or different. The core boosting algorithm follows similar lines to boosting algorithms for classification algorithm. The pseudo code of the booster is given in Fig. 1. The pseudo-code is an adaptation the to problem of kernel design of the sequentialupdate algorithm from [8]. As with other boosting algorithm, the base-learner, which in our case is charge of returning a good kernel with respect to the current distribution, is left unspecified. We therefore turn our attention to the algorithmic implementation of the base-learning algorithm for kernels. 3 Learning Base Kernels The base kernel learner is provided with a training set S and a distribution D t over a pairs ˜ of instances from the training set. It is also provided with a set of unlabelled examples S. Without any knowledge of the topology of the space of instances a learning algorithm is likely to fail. Therefore, we assume the existence of an initial inner-product over the input space. We assume for now that this initial inner-product is the standard scalar products over vectors in n . We later discuss a way to relax the assumption on the form of the inner-product. Equipped with an inner-product, we define the family of base kernels to be the possible outer-products Kw = wwT between a vector w ∈ n and itself.     Using this definition we get, Kw (xi , xj ) = (xi ·w)(xj ·w) . Input: A distribution Dt . Labelled and unlabelled sets: ˜ ˜ Therefore, the similarity beS = {(xi , yi )}m ; S = {˜i }m . x i=1 i=1 tween two instances xi and Compute : xj is high iff both xi and xj • Calculate: ˜ are similar (w.r.t the standard A ∈ m×m , Ai,r = xi · xr ˜ inner-product) to a third vecm×m B∈ , Bi,j = Dt (i, j)yi yj tor w. Analogously, if both ˜ ˜ K ∈ m×m , Kr,s = xr · xs ˜ ˜ xi and xj seem to be dissim• Find the generalized eigenvector v ∈ m for ilar to the vector w then they the problem AT BAv = λKv which attains are similar to each other. Dethe largest eigenvalue λ spite the restrictive form of • Set: w = ( r vr xr )/ ˜ ˜ r vr xr . the inner-products, this famt ily is still too rich for our setReturn: Kernel operator Kw = ww . ting and we further impose two restrictions on the inner Figure 2: The base kernel learning algorithm. products. First, we assume ˜ that w is restricted to a linear combination of vectors from S. Second, since scaling of the base kernels is performed by the boosted, we constrain the norm of w to be 1. The m ˜ resulting class of kernels is therefore, C = {Kw = wwT | w = r=1 βr xr , w = 1} . ˜ In the boosting process we need to choose a specific base-kernel K w from C. We therefore need to devise a notion of how good a candidate for base kernel is given a labelled set S and a distribution function Dt . In this work we use the simplest version suggested by Collins et al. This version can been viewed as a linear approximation on the loss function. We define the score of a kernel Kw w.r.t to the current distribution Dt to be,         Score(Kw ) = Dt (i, j)yi yj Kw (xi , xj ) . (1) i,j The higher the value of the score is, the better Kw fits the training data. Note that if Dt (i, j) = 1/m2 (as is D0 ) then Score(Kw ) is proportional to the alignment since w = 1. Under mild assumptions the score can also provide a lower bound of the loss function. To see that let c be the derivative of the loss function at margin zero, c = Loss (0) . If all the √ training examples xi ∈ S lies in a ball of radius c, we get that Loss(Kw (xi , xj ), yi yj ) ≥ 1 − cKw (xi , xj )yi yj ≥ 0, and therefore, i,j Dt (i, j)Loss(Kw (xi , xj ), yi yj ) ≥ 1 − c Dt (i, j)Kw (xi , xj )yi yj . i,j Using the explicit form of Kw in the Score function (Eq. (1)) we get, Score(Kw ) = i,j D(i, j)yi yj (w·xi )(w·xj ) . Further developing the above equation using the constraint that w = m ˜ r=1 βr xr we get, ˜ Score(Kw ) = βs βr r,s i,j D(i, j)yi yj (xi · xr ) (xj · xs ) . ˜ ˜ To compute efficiently the base kernel score without an explicit enumeration we exploit the fact that if the initial distribution D0 is symmetric (D0 (i, j) = D0 (j, i)) then all the distributions generated along the run of the boosting process, D t , are also symmetric. We ˜ now define a matrix A ∈ m×m where Ai,r = xi · xr and a symmetric matrix B ∈ m×m ˜ with Bi,j = Dt (i, j)yi yj . Simple algebraic manipulations yield that the score function can be written as the following quadratic form, Score(β) = β T (AT BA)β , where β is m dimensional column vector. Note that since B is symmetric so is A T BA. Finding a ˜ good base kernel is equivalent to finding a vector β which maximizes this quadratic form 2 m ˜ under the norm equality constraint w = ˜ 2 = β T Kβ = 1 where Kr,s = r=1 βr xr xr · xs . Finding the maximum of Score(β) subject to the norm constraint is a well known ˜ ˜ maximization problem known as the generalized eigen vector problem (cf. [10]). Applying simple algebraic manipulations it is easy to show that the matrix AT BA is positive semidefinite. Assuming that the matrix K is invertible, the the vector β which maximizes the quadratic form is proportional the eigenvector of K −1 AT BA which is associated with the m ˜ generalized largest eigenvalue. Denoting this vector by v we get that w ∝ ˜ r=1 vr xr . m ˜ m ˜ Adding the norm constraint we get that w = ( r=1 vr xr )/ ˜ vr xr . The skeleton ˜ r=1 of the algorithm for finding a base kernels is given in Fig. 3. To conclude the description of the kernel learning algorithm we describe how to the extend the algorithm to be employed with general kernel functions.     Kernelizing the Kernel: As described above, we assumed that the standard scalarproduct constitutes the template for the class of base-kernels C. However, since the proce˜ dure for choosing a base kernel depends on S and S only through the inner-products matrix A, we can replace the scalar-product itself with a general kernel operator κ : X × X → , where κ(xi , xj ) = φ(xi ) · φ(xj ). Using a general kernel function κ we can not compute however the vector w explicitly. We therefore need to show that the norm of w, and evaluation Kw on any two examples can still be performed efficiently.   First note that given the vector v we can compute the norm of w as follows, T w 2 = vr xr ˜ vs xr ˜ r s = vr vs κ(˜r , xs ) . x ˜ r,s Next, given two vectors xi and xj the value of their inner-product is, Kw (xi , xj ) = vr vs κ(xi , xr )κ(xj , xs ) . ˜ ˜ r,s Therefore, although we cannot compute the vector w explicitly we can still compute its norm and evaluate any of the kernels from the class C. 4 Experiments Synthetic data: We generated binary-labelled data using as input space the vectors in 100 . The labels, in {−1, +1}, were picked uniformly at random. Let y designate the label of a particular example. Then, the first two components of each instance were drawn from a two-dimensional normal distribution, N (µ, ∆ ∆−1 ) with the following parameters,   µ=y 0.03 0.03 1 ∆= √ 2 1 −1 1 1 = 0.1 0 0 0.01 . That is, the label of each examples determined the mean of the distribution from which the first two components were generated. The rest of the components in the vector (98 8 0.2 6 50 50 100 100 150 150 200 200 4 2 0 0 −2 −4 −6 250 250 −0.2 −8 −0.2 0 0.2 −8 −6 −4 −2 0 2 4 6 8 300 20 40 60 80 100 120 140 160 180 200 300 20 40 60 80 100 120 140 160 180 Figure 3: Results on a toy data set prior to learning a kernel (first and third from left) and after learning (second and fourth). For each of the two settings we show the first two components of the training data (left) and the matrix of inner products between the train and the test data (right). altogether) were generated independently using the normal distribution with a zero mean and a standard deviation of 0.05. We generated 100 training and test sets of size 300 and 200 respectively. We used the standard dot-product as the initial kernel operator. On each experiment we first learned a linear classier that separates the classes using the Perceptron [11] algorithm. We ran the algorithm for 10 epochs on the training set. After each epoch we evaluated the performance of the current classifier on the test set. We then used the boosting algorithm for kernels with the LogLoss for 30 rounds to build a kernel for each random training set. After learning the kernel we re-trained a classifier with the Perceptron algorithm and recorded the results. A summary of the online performance is given in Fig. 4. The plot on the left-hand-side of the figure shows the instantaneous error (achieved during the run of the algorithm). Clearly, the Perceptron algorithm with the learned kernel converges much faster than the original kernel. The middle plot shows the test error after each epoch. The plot on the right shows the test error on a noisy test set in which we added a Gaussian noise of zero mean and a standard deviation of 0.03 to the first two features. In all plots, each bar indicates a 95% confidence level. It is clear from the figure that the original kernel is much slower to converge than the learned kernel. Furthermore, though the kernel learning algorithm was not expoed to the test set noise, the learned kernel reflects better the structure of the feature space which makes the learned kernel more robust to noise. Fig. 3 further illustrates the benefits of using a boutique kernel. The first and third plots from the left correspond to results obtained using the original kernel and the second and fourth plots show results using the learned kernel. The left plots show the empirical distribution of the two informative components on the test data. For the learned kernel we took each input vector and projected it onto the two eigenvectors of the learned kernel operator matrix that correspond to the two largest eigenvalues. Note that the distribution after the projection is bimodal and well separated along the first eigen direction (x-axis) and shows rather little deviation along the second eigen direction (y-axis). This indicates that the kernel learning algorithm indeed found the most informative projection for separating the labelled data with large margin. It is worth noting that, in this particular setting, any algorithm which chooses a single feature at a time is prone to failure since both the first and second features are mandatory for correctly classifying the data. The two plots on the right hand side of Fig. 3 use a gray level color-map to designate the value of the inner-product between each pairs instances, one from training set (y-axis) and the other from the test set. The examples were ordered such that the first group consists of the positively labelled instances while the second group consists of the negatively labelled instances. Since most of the features are non-relevant the original inner-products are noisy and do not exhibit any structure. In contrast, the inner-products using the learned kernel yields in a 2 × 2 block matrix indicating that the inner-products between instances sharing the same label obtain large positive values. Similarly, for instances of opposite 200 1 12 Regular Kernel Learned Kernel 0.8 17 0.7 16 0.5 0.4 0.3 Test Error % 8 0.6 Regular Kernel Learned Kernel 18 10 Test Error % Averaged Cumulative Error % 19 Regular Kernel Learned Kernel 0.9 6 4 15 14 13 12 0.2 11 2 0.1 10 0 0 10 1 10 2 10 Round 3 10 4 10 0 2 4 6 Epochs 8 10 9 2 4 6 Epochs 8 10 Figure 4: The online training error (left), test error (middle) on clean synthetic data using a standard kernel and a learned kernel. Right: the online test error for the two kernels on a noisy test set. labels the inner products are large and negative. The form of the inner-products matrix of the learned kernel indicates that the learning problem itself becomes much easier. Indeed, the Perceptron algorithm with the standard kernel required around 94 training examples on the average before converging to a hyperplane which perfectly separates the training data while using the Perceptron algorithm with learned kernel required a single example to reach a perfect separation on all 100 random training sets. USPS dataset: The USPS (US Postal Service) dataset is known as a challenging classification problem in which the training set and the test set were collected in a different manner. The USPS contains 7, 291 training examples and 2, 007 test examples. Each example is represented as a 16 × 16 matrix where each entry in the matrix is a pixel that can take values in {0, . . . , 255}. Each example is associated with a label in {0, . . . , 9} which is the digit content of the image. Since the kernel learning algorithm is designed for binary problems, we broke the 10-class problem into 45 binary problems by comparing all pairs of classes. The interesting question of how to learn kernels for multiclass problems is beyond the scopre of this short paper. We thus constraint on the binary error results for the 45 binary problem described above. For the original kernel we chose a RBF kernel with σ = 1 which is the value employed in the experiments reported in [12]. We used the kernelized version of the kernel design algorithm to learn a different kernel operator for each of the binary problems. We then used a variant of the Perceptron [11] and with the original RBF kernel and with the learned kernels. One of the motivations for using the Perceptron is its simplicity which can underscore differences in the kernels. We ran the kernel learning al˜ gorithm with LogLoss and ExpLoss, using bith the training set and the test test as S. Thus, we obtained four different sets of kernels where each set consists of 45 kernels. By examining the training loss, we set the number of rounds of boosting to be 30 for the LogLoss and 50 for the ExpLoss, when using the trainin set. When using the test set, the number of rounds of boosting was set to 100 for both losses. Since the algorithm exhibits slower rate of convergence with the test data, we choose a a higher value without attempting to optimize the actual value. The left plot of Fig. 5 is a scatter plot comparing the test error of each of the binary classifiers when trained with the original RBF a kernel versus the performance achieved on the same binary problem with a learned kernel. The kernels were built ˜ using boosting with the LogLoss and S was the training data. In almost all of the 45 binary classification problems, the learned kernels yielded lower error rates when combined with the Perceptron algorithm. The right plot of Fig. 5 compares two learned kernels: the first ˜ was build using the training instances as the templates constituing S while the second used the test instances. Although the differenece between the two versions is not as significant as the difference on the left plot, we still achieve an overall improvement in about 25% of the binary problems by using the test instances. 6 4.5 4 5 Learned Kernel (Test) Learned Kernel (Train) 3.5 4 3 2 3 2.5 2 1.5 1 1 0.5 0 0 1 2 3 Base Kernel 4 5 6 0 0 1 2 3 Learned Kernel (Train) 4 5 Figure 5: Left: a scatter plot comparing the error rate of 45 binary classifiers trained using an RBF kernel (x-axis) and a learned kernel with training instances. Right: a similar scatter plot for a learned kernel only constructed from training instances (x-axis) and test instances. 5 Discussion In this paper we showed how to use the boosting framework to design kernels. Our approach is especially appealing in transductive learning tasks where the test data distribution is different than the the distribution of the training data. For example, in speech recognition tasks the training data is often clean and well recorded while the test data often passes through a noisy channel that distorts the signal. An interesting and challanging question that stem from this research is how to extend the framework to accommodate more complex decision tasks such as multiclass and regression problems. Finally, we would like to note alternative approaches to the kernel design problem has been devised in parallel and independently. See [13, 14] for further details. Acknowledgements: Special thanks to Cyril Goutte and to John Show-Taylor for pointing the connection to the generalized eigen vector problem. Thanks also to the anonymous reviewers for constructive comments. References [1] V. N. Vapnik. Statistical Learning Theory. Wiley, 1998. [2] N. Cristianini and J. Shawe-Taylor. An Introduction to Support Vector Machines. Cambridge University Press, 2000. [3] Huma Lodhi, John Shawe-Taylor, Nello Cristianini, and Christopher J. C. H. Watkins. Text classification using string kernels. Journal of Machine Learning Research, 2:419–444, 2002. [4] C. Leslie, E. Eskin, and W. Stafford Noble. The spectrum kernel: A string kernel for svm protein classification. In Proceedings of the Pacific Symposium on Biocomputing, 2002. [5] Nello Cristianini, Andre Elisseeff, John Shawe-Taylor, and Jaz Kandla. On kernel target alignment. In Advances in Neural Information Processing Systems 14, 2001. [6] G. Lanckriet, N. Cristianini, P. Bartlett, L. El Ghaoui, and M. Jordan. Learning the kernel matrix with semi-definite programming. In Proc. of the 19th Intl. Conf. on Machine Learning, 2002. [7] Jerome Friedman, Trevor Hastie, and Robert Tibshirani. Additive logistic regression: a statistical view of boosting. Annals of Statistics, 28(2):337–374, April 2000. [8] Michael Collins, Robert E. Schapire, and Yoram Singer. Logistic regression, adaboost and bregman distances. Machine Learning, 47(2/3):253–285, 2002. [9] Llew Mason, Jonathan Baxter, Peter Bartlett, and Marcus Frean. Functional gradient techniques for combining hypotheses. In Advances in Large Margin Classifiers. MIT Press, 1999. [10] Roger A. Horn and Charles R. Johnson. Matrix Analysis. Cambridge University Press, 1985. [11] F. Rosenblatt. The perceptron: A probabilistic model for information storage and organization in the brain. Psychological Review, 65:386–407, 1958. [12] B. Sch¨ lkopf, S. Mika, C.J.C. Burges, P. Knirsch, K. M¨ ller, G. R¨ tsch, and A.J. Smola. Input o u a space vs. feature space in kernel-based methods. IEEE Trans. on NN, 10(5):1000–1017, 1999. [13] O. Bosquet and D.J.L. Herrmann. On the complexity of learning the kernel matrix. NIPS, 2002. [14] C.S. Ong, A.J. Smola, and R.C. Williamson. Superkenels. NIPS, 2002.

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